NEW ROVIBRATIONAL DATA FOR MGOH AND MGOD AND THE INTERNUCLEAR POTENTIAL FUNCTION OF THE GROUND ELECTRONIC-STATE

被引:32
作者
BUNKER, PR
KOLBUSZEWSKI, M
JENSEN, P
BRUMM, M
ANDERSON, MA
BARCLAY, WL
ZIURYS, LM
NI, Y
HARRIS, DO
机构
[1] BERG UNIV GESAMTHSCH WUPPERTAL,FB THEORET CHEM 9,D-42097 WUPPERTAL,GERMANY
[2] ARIZONA STATE UNIV,DEPT CHEM,TEMPE,AZ 85287
[3] UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
基金
美国国家科学基金会; 美国国家航空航天局;
关键词
D O I
10.1016/0009-2614(95)00479-N
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Using millimeter wave absorption spectroscopy we have recorded pure rotation spectra of MgOH in its ground vibrational state and in six excited vibrational states. We have also determined a large number of bending vibrational energies, and the Mg-O stretching frequency, using dispersed fluorescence studies of both MgOH and MgOD. By a weighted least-squares optimized fitting to this data, using the vibrational approach MORBID (Morse oscillator rigid bender for internal dynamics), we have derived the full ground state potential surface in an analytical form. The equilibrium structure is determined to be linear but with a flat predominantly quartic bending potential.
引用
收藏
页码:217 / 222
页数:6
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